Glycoside
GD033003
Name:
NoneFormula:
C20H26O9N3FS2Smiles:
OC[C@@H]1O[C@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccccc4F)nn3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCC1OC(SS)C(O)C(n2cc(-c3ccccc3F)nn2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 535.57 | Num_heavy_atoms: | 35 |
| TPSA: | 190.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD21098
Formula: C14H16O4N3FS2
Smiles:
OCC1OC(SS)C(O)C(n2cc(-c3ccccc3F)nn2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 373.43 | Num_heavy_atoms: | 24 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
